SCHEMBL7968796

SCHEMBL7968796

CC(CCC(C#N)(c1c(F)cccc1F)C(C)C)N(C)C(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
AR P10275 4/20 0.33
RIPK1 Q13546 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PGR P06401 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
MAOB P27338 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7956093 0.88 L3MBTL1 (0.40) EBPSIGMAR1ARRIPK1L3MBTL1
SCHEMBL7968543 0.87 EBP (0.36) EBPSIGMAR1ARRIPK1L3MBTL1
SCHEMBL7972392 0.85 EBP (0.38) EBPSIGMAR1ARRIPK1L3MBTL1
SCHEMBL7956534 0.85 EBP (0.38) EBPSIGMAR1ARRIPK1L3MBTL1
SCHEMBL7966372 0.83 ADRA2B (0.43) EBPSIGMAR1MEN1KMT2AHTR2A
SCHEMBL7971676 0.83 EBP (0.46) EBPSIGMAR1ARRIPK1L3MBTL1
SCHEMBL7968642 0.83 EBP (0.46) EBPSIGMAR1ARRIPK1L3MBTL1
SCHEMBL7972558 0.82 EBP (0.41) EBPSIGMAR1ARRIPK1PGR
SCHEMBL7968797 0.81 SIGMAR1 (0.50) EBPSIGMAR1CYP2D6CYP3A4MEN1
SCHEMBL7972161 0.81 AR (0.41) EBPSIGMAR1ARRIPK1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265439-B1 Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives G.D. SEARLE & CO. 2001-07-24 US disclosed